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8214625
 
#1

Glutathione Transferrase GST-EFI: Nitroglycerin
MicroSource Pharmakon: 01505956
MicroSource US Drugs: 01505956
Biocyc via PubChem: CPD-143
ChEBI: CHEBI:28787...44 total

ref: mol2, SDF, SMILES, flexibase
2.19,4.06,-8.71,0,12,0, 227.085, 8
1016
 
#2

Glutathione Transferrase GST-EFI: Benzoyl, Benzoyl_Peroxide
Acros Organics: 21178
Alfa-Aesar: L13174
MicroSource Pharmakon: 01503004
MicroSource US Drugs: 01503004...90 total

ref: mol2, SDF, SMILES, flexibase
3.88,2.98,-10.38,0,4,0, 242.23, 5
19701769
 
#3

eMolecules: 729961
Glutathione Transferrase GST-EFI: Chlortetracycline_(ClTet.), Chlortetracycline
Molport: MolPort-007-567-665, MolPort-003-665-528
Acros Organics: 43096, 26824
APIChem: AC-12254...56 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-0.42,-53.8,7,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,2.68,-73.08,5,10,0, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
0.39,-1.3,-136.47,5,10,-2, 476.869, 2
mid: mol2, SDF, SMILES, flexibase
0.39,0.84,-116.1,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
-0.79,-0.19,-66,7,10,0, 478.885, 1
mid: mol2, SDF, SMILES, flexibase
0.39,-1.11,-118.72,5,10,-2, 476.869, 2
mid: mol2, SDF, SMILES, flexibase
-0.06,-1.3,-139.42,5,10,-2, 476.869, 2
mid: mol2, SDF, SMILES, flexibase
-0.06,0.87,-116.79,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
-0.79,-1.25,-45.79,8,10,1, 479.893, 1
mid: mol2, SDF, SMILES, flexibase
-0.64,1.68,-60.37,6,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.06,-2.4,-56.76,6,10,-1, 477.877, 2
hi: mol2, SDF, SMILES, flexibase
-0.79,-1.86,-62.08,6,10,-1, 477.877, 1
hi: mol2, SDF, SMILES, flexibase
0.39,-0.11,-211.05,4,10,-3, 475.861, 2
hi: mol2, SDF, SMILES, flexibase
-0.79,-1.8,-62.77,6,10,-1, 477.877, 1
hi: mol2, SDF, SMILES, flexibase
-0.06,-0.3,-234.59,4,10,-3, 475.861, 2
hi: mol2, SDF, SMILES, flexibase
-0.06,-1.4,-107.6,5,10,-2, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.64,0.99,-96.78,4,10,0, 476.869, 2
lo: mol2, SDF, SMILES, flexibase
-0.79,-1.12,-42.73,8,10,1, 479.893, 1
lo: mol2, SDF, SMILES, flexibase
-0.64,-1.01,-41.1,7,10,0, 479.893, 2
lo: mol2, SDF, SMILES, flexibase
-0.79,-2.85,-17.22,7,10,0, 478.885, 1
lo: mol2, SDF, SMILES, flexibase
-0.79,-2.79,-18.25,7,10,0, 478.885, 1

Similar to: 36372561, 36372562, 36372563, 36372564, ... 4 in total.
34800280
 
#4

eMolecules: 729961
Glutathione Transferrase GST-EFI: Chlortetracycline
Molport: MolPort-007-567-665
Labotest: LT00244852, LT00138166
Labotest Building Blocks: LT00138166...15 total

ref: mol2, SDF, SMILES, flexibase
-0.06,0.22,-51.14,7,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,1.99,-57.06,6,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.06,-1.76,-51.6,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
0.39,-0.63,-128.84,5,10,-2, 476.869, 2
mid: mol2, SDF, SMILES, flexibase
0.39,1.51,-111.08,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,3,-68.74,5,10,0, 477.877, 2
hi: mol2, SDF, SMILES, flexibase
0.39,2.5,-199.64,5,10,-2, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.64,1.33,-85.57,4,10,0, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.06,-0.76,-103.37,5,10,-2, 476.869, 2
lo: mol2, SDF, SMILES, flexibase
-0.64,-0.7,-38.49,7,10,0, 479.893, 2
35024403
 
#5

eMolecules: 729961
Glutathione Transferrase GST-EFI: Chlortetracycline
Molport: MolPort-007-567-665
Labotest: LT00244852
TimTec: ST50999684...7 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-0.75,-51.25,7,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.06,-2.85,-51.56,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,2.12,-68.41,6,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.64,3.12,-82.91,5,10,0, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
0.39,-0.06,-124.83,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
0.39,-2.36,-133.13,5,10,-2, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.06,-1.86,-104.68,5,10,-2, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.64,1.17,-94.04,4,10,0, 476.869, 2
lo: mol2, SDF, SMILES, flexibase
-0.64,-0.23,-45.51,7,10,0, 479.893, 2

Similar to: 36372562, 36372563, 19144653,
14768423
 
#6

eMolecules: 729961
Glutathione Transferrase GST-EFI: Chlortetracycline
Molport: MolPort-007-567-665
Apollo Scientific Bioactives: BI7654
Labotest: LT00244852...10 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-0.07,-53.56,7,10,0, 478.885, 2
mid: mol2, SDF, SMILES, flexibase
-0.06,-2.19,-50.25,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
-0.79,-0.11,-81.29,7,10,0, 478.885, 1
mid: mol2, SDF, SMILES, flexibase
0.39,0.64,-123.63,6,10,-1, 477.877, 2
mid: mol2, SDF, SMILES, flexibase
0.39,-1.67,-128.17,5,10,-2, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.06,-1.19,-104.83,5,10,-2, 476.869, 2
hi: mol2, SDF, SMILES, flexibase
-0.06,2.07,-173.39,5,10,-2, 476.869, 2

Similar to: 22054932, 36372561, 36372562, 36372563, 36372564, ... 8 in total.
69652811
 
#7

Glutathione Transferrase GST-EFI: 2-hydroxyethyl
SureChEMBL: SCHEMBL94191, SCHEMBL1086228
ref: mol2, SDF, SMILES, flexibase
0.50,1.32,-39.36,1,1,-1, 109.195, 2
225408
 
#8

eMolecules: 592394
Glutathione Transferrase GST-EFI: tetrachlorohydroquin, tetrachlorohydroquinone_(TCHQ)
Molport: MolPort-003-060-550
AKOS: AKOS003632076
ChemDiv: 0054-0058...41 total

ref: mol2, SDF, SMILES, flexibase
3.92,1.66,-31.26,1,2,-1, 246.884, 0
3860524
 
#9

eMolecules: 474498
Glutathione Transferrase GST-EFI: iodoacetate_(IA), iodoacetate
Molport: MolPort-002-990-500
Acros Organics: 12228
AK Scientific: U791...103 total

ref: mol2, SDF, SMILES, flexibase
0.57,2.32,-38.92,0,2,-1, 184.94, 1
154582
 
#10

ChemMol: 44013030, 30101444
eMolecules: 529866
Glutathione Transferrase GST-EFI: 4-nitrophenylacetate
Scientific Exchange (make on demand): F-336847
Acros Organics: 12876...102 total

ref: mol2, SDF, SMILES, flexibase
1.32,5.59,-42.09,0,5,-1, 180.139, 3

Similar to: 39282679, 44196529, 44196533, 44199365, ... 4 in total.
162465
 
#11

ChemMol: 97600608
Glutathione Transferrase GST-EFI: 1,2-epoxy-3-(4-nitrophenoxy)propane_(ENP), "1,2-epoxy-3-(4-nitr
AK Scientific: Y6275
AKOS: AKOS000149480
American Custom Chemicals Corp.: CCH0008187...36 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.82,-9.59,0,5,0, 195.174, 4

Similar to: 3187422, 34458189, 34458190, 34542476, 34542477, ... 11 in total.
162466
 
#12

ChemMol: 97600609
Glutathione Transferrase GST-EFI: "1,2-epoxy-3-(4-nitr
AK Scientific: Y6275
AKOS: AKOS000149480
American Custom Chemicals Corp.: CCH0008188...35 total

ref: mol2, SDF, SMILES, flexibase
1.79,3.82,-9.7,0,5,0, 195.174, 4

Similar to: 3187422, 34458189, 34458190, 34542476, 34542477, ... 11 in total.
157143
 
#13

eMolecules: 535606
Glutathione Transferrase GST-EFI: 1-nitropyrene
Scientific Exchange (make on demand): T-013252
AK Scientific: W6924
AKOS: AKOS002384330...46 total

ref: mol2, SDF, SMILES, flexibase
4.79,10.49,-11.17,0,3,0, 247.253, 1

Similar to: 2383034, 2383036, 5162814, 5845759, 5845768, ... 24 in total.
1540301
 
#14

ChemMol: 44006611
Glutathione Transferrase GST-EFI: "1-chloro-2,4-dinitr, 1-chloro-2,4-dinitro_benzene_(CDNB)
Molport: MolPort-001-757-383
Acros Organics: 16051
Alfa-Aesar: A13774...73 total

ref: mol2, SDF, SMILES, flexibase
2.46,6.3,-7.86,0,6,0, 202.553, 2

Similar to: 1757423,
967371
 
#15

ChemMol: 1030451
Glutathione Transferrase GST-EFI: trans-stilbene_oxide_(tSO), cis-stilbene, trans-stilbene
American Custom Chemicals Corp.: CHM0163302, CHM0290334
Anward: ANW-43563
Bosche Scientific: T8857...45 total

ref: mol2, SDF, SMILES, flexibase
3.32,0.17,-4.92,0,1,0, 196.249, 2

Similar to: 6116504, 32221750, 32221751, 32221752, 32221753, ... 25 in total.
967372
 
#16

Glutathione Transferrase GST-EFI: cis-stilbene, trans-stilbene
Acros Organics: 13278
American Custom Chemicals Corp.: CHM0163302, CHM0290334
Anward: ANW-43563
Chemstep: 2352...39 total

ref: mol2, SDF, SMILES, flexibase
3.32,0.18,-4.89,0,1,0, 196.249, 2

Similar to: 6116504, 32221750, 32221751, 32221752, 32221753, ... 24 in total.
13523714
 
#17

Glutathione Transferrase GST-EFI: trans-stilbene, cis-stilbene_oxide_(cSO), cis-stilbene
American Custom Chemicals Corp.: CHM0290334, CHM0163302
Anward: ANW-43563
Chemstep: 2352
Element Store BB: b2star-1689-71-0...46 total

ref: mol2, SDF, SMILES, flexibase
3.32,7.45,-5.63,0,1,0, 196.249, 2

Similar to: 32221750, 32221751, 32221752, 32221753, 32221813, ... 24 in total.
19230125
 
#18

eMolecules: 206842940
Glutathione Transferrase GST-EFI: trans-4-phenyl-3-but, trans-4-phenyl-3-buten-2-one_(tPBO)
Molport: MolPort-001-779-702
TCM Database @ Taiwan: tcm03_006776
Acros Organics: 38559...116 total

ref: mol2, SDF, SMILES, flexibase
2.21,6.29,-6.25,0,1,0, 146.189, 2

Similar to: 26506281, 34565707, 39127896, 39128037, ... 5 in total.
8580219
 
#19

Glutathione Transferrase GST-EFI: trans-4-phenyl-3-but
Acros Organics: 38559
Angene Building Blocks: AGN-PC-00UO04
Anward: ANW-17996
Chembo Pharma: KB-47903...36 total

ref: mol2, SDF, SMILES, flexibase
2.21,2,-6.4,0,1,0, 146.189, 2

Similar to: 19230125, 26506281, 34565707, 39127896, 39128037, ... 6 in total.
901249
 
#20

ChemMol: 44008276, 30106428, 1030402, 30106427, 44005339
Glutathione Transferrase GST-EFI: Styrene
Molport: MolPort-001-779-757
Acros Organics: 13280, 44945
AK Scientific: H390...141 total

ref: mol2, SDF, SMILES, flexibase
1.74,3.67,-4.72,0,1,0, 120.151, 1

Similar to: 5158049, 5158050, 5832205, 5832209, 5841990, ... 11 in total.
901251
 
#21

ChemMol: 44005339, 30106427, 1030399, 30106428
Glutathione Transferrase GST-EFI: Styrene, Styrene_Oxide_(SO)
Molport: MolPort-001-779-757
Acros Organics: 13280, 24055
AK Scientific: H390...147 total

ref: mol2, SDF, SMILES, flexibase
1.74,3.66,-4.73,0,1,0, 120.151, 1

Similar to: 5158049, 5158050, 5832205, 5832209, 5841990, ... 11 in total.
1845905
 
#22

Glutathione Transferrase GST-EFI: Propyl_Isothiocyanate_(Prop._Isothio.), Propyl
Acros Organics: TL01934, 30531
AK Scientific: Y1457
AKOS: AKOS000212402
Alfa-Aesar: A14499...39 total

ref: mol2, SDF, SMILES, flexibase
2.48,-0.91,-1.63,0,1,0, 101.174, 2
2022074
 
#23

ChemMol: 30102475, 83601023
eMolecules: 492210
Glutathione Transferrase GST-EFI: Phenethyl, Phenethyl_Isothiocyanate_(PhenethIso)
TCM Database @ Taiwan: 44248, 31972
Acros Organics: 26516...82 total

ref: mol2, SDF, SMILES, flexibase
3.41,5.69,-2.35,0,1,0, 163.245, 3

Similar to: 5735314, 5751594,
3780340
 
#24

ChemMol: 30107863
eMolecules: 522202
Glutathione Transferrase GST-EFI: Hypericin
Molport: MolPort-003-983-595
TCM Database @ Taiwan: tcm03_004218...92 total

ref: mol2, SDF, SMILES, flexibase
6.66,4.18,-20.39,6,8,0, 504.45, 0
1309
 
#25

ChemMol: 44008136
Glutathione Transferrase GST-EFI: Diazinon
TCM Database @ Taiwan: 30928
BioSynth: Q-200953
Boerchem Pharmatech BB: BC225665...126 total

ref: mol2, SDF, SMILES, flexibase
3.58,8.93,-11.39,0,5,0, 304.352, 7

Similar to: 8253293, 32191951, 43064950,
160592
 
#26

ChemMol: 83601041
eMolecules: 535720
Glutathione Transferrase GST-EFI: Cyclohexyl_Isothiocyanate_(CyclohexIso), Cyclohexyl
AK Scientific: 8926AC
AKOS: AKOS000120219...51 total

ref: mol2, SDF, SMILES, flexibase
3.51,-1.15,-1.46,0,1,0, 141.239, 1
1686876
 
#27

Glutathione Transferrase GST-EFI: Crotonaldehyde, Crotonaldehyde_(CA)
Molport: MolPort-001-783-817
TCM Database @ Taiwan: 28517
Acros Organics: 15822, 42718
Alfa-Aesar: L03362...112 total

ref: mol2, SDF, SMILES, flexibase
1.03,2.62,-6.26,0,1,0, 70.091, 1
4726476
 
#28

Glutathione Transferrase GST-EFI: Crotonaldehyde
Mcule: MCULE-2497362981
Tractus: TRA0016578
Biocyc via PubChem: CPD-7600
ChemDB: 6683306...40 total

ref: mol2, SDF, SMILES, flexibase
1.03,1.69,-5.96,0,1,0, 70.091, 1
1665970
 
#29

Glutathione Transferrase GST-EFI: 2-hydroxyethyl_disulfide_(HED)
Acros Organics: 37389
Alfa-Aesar: L11800
Chembo Pharma: KB-67146
Element Store BB: b2star-1892-29-1...31 total

ref: mol2, SDF, SMILES, flexibase
0.07,-0.83,-4.28,2,2,0, 154.256, 5
64858614
 
#30

Glutathione Transferrase GST-EFI: 4-hydroperoxy_2-nonenal
Cayman Chemical: 10004413
Biocyc via PubChem: 4-HYDROPEROXYOCTADECA-T-2-NONENAL
ChemDB: 7590731
Human Metabolome Database: HMDB60287...12 total

ref: mol2, SDF, SMILES, flexibase
2.75,2.92,-9.5,1,3,0, 172.224, 7
34385814
 
#31

Glutathione Transferrase GST-EFI: 5a-androsten-3,17-dione
FineTech: FT-0620032
Vesino Industrial Co Ltd: VZ35621
Biocyc via PubChem: CPD66-29
ChemDB: 4954459...6 total

ref: mol2, SDF, SMILES, flexibase
3.06,9.45,-8.61,0,2,0, 286.415, 0

Similar to: 5186658, 5186648, 4802333, 4802330, 4557175, ... 9 in total.
14946150
 
#32

Glutathione Transferrase GST-EFI: 5a-androsten-3,17-dione
FineTech: FT-0620032
NCI Plated 2007: 9563, 67578
Vesino Industrial Co Ltd: VZ35621
Biocyc via PubChem: CPD66-29...9 total

ref: mol2, SDF, SMILES, flexibase
3.06,9.36,-8.89,0,2,0, 286.415, 0

Similar to: 32220216, 32220217,
34385815
 
#33

Glutathione Transferrase GST-EFI: 5a-androsten-3,17-dione
FineTech: FT-0620032
Vesino Industrial Co Ltd: VZ35621
Biocyc via PubChem: CPD66-29
ChemDB: 4954459...6 total

ref: mol2, SDF, SMILES, flexibase
3.06,9.12,-9.1,0,2,0, 286.415, 0

Similar to: 5186658, 5186648, 4802333, 4802330, 4557175, ... 9 in total.
14946151
 
#34

Glutathione Transferrase GST-EFI: 5a-androsten-3,17-dione
FineTech: FT-0620032
Vesino Industrial Co Ltd: VZ35621
Biocyc via PubChem: CPD66-29, ANDROST4ENE
ChemDB: 4954459...10 total

ref: mol2, SDF, SMILES, flexibase
3.06,9.43,-8.7,0,2,0, 286.415, 0
3078958
 
#35

Amidohydrolase AH-EFI: Atrazine
ChemMol: 30101868
eMolecules: 495715
Glutathione Transferrase GST-EFI: Atrazine
TCM Database @ Taiwan: 30926...120 total

ref: mol2, SDF, SMILES, flexibase
2.55,7.19,-5.05,2,5,0, 215.688, 4

Similar to: 5178407, 5760638,
608250
 
#36

ChemMol: 30108793, 44006864
Glutathione Transferrase GST-EFI: Chlorpyriphos_(CPP)
AK Scientific: H175, O799
APIChem: AC-993
Boerchem Pharmatech BB: BC220240...67 total

ref: mol2, SDF, SMILES, flexibase
5.16,8.32,-14.54,0,4,0, 350.591, 6

Similar to: 5862149, 5862885,
8585911
 
#37

Glutathione Transferrase GST-EFI: Cumene_hydroperoxide_(C-OOH)
Acros Organics: 34996
Sigma Aldrich (Building Blocks): 247502|ALDRICH
Biocyc via PubChem: CPD0-1449
ChEMBL12: CHEMBL1518369...19 total

ref: mol2, SDF, SMILES, flexibase
2.38,2.78,-4.45,1,2,0, 152.193, 2
2037825
 
#38

Glutathione Transferrase GST-EFI: furfuryl_disulfide
AK Scientific: P047
Angene Building Blocks: AGN-PC-0JKFBN
Anward: ANW-30099
BioSynth: Q-100483...33 total

ref: mol2, SDF, SMILES, flexibase
3.04,8.17,-6.87,0,2,0, 226.322, 5
3860523
 
#39

ChemMol: 44020231
Glutathione Transferrase GST-EFI: Iodoacetamide_(IAc)
Acros Organics: 12227
AK Scientific: U470
Alfa-Aesar: A14715...76 total

ref: mol2, SDF, SMILES, flexibase
0.06,-0.61,-7.67,2,2,0, 184.964, 1
1608121
 
#40

ChemMol: 51500395
Glutathione Transferrase GST-EFI: monochlorobimane_(mBCl)
FineTech: FT-0628976
Sigma Aldrich (Building Blocks): C4528|SIGMA
Synchem UG and Co KG: bc234...13 total

ref: mol2, SDF, SMILES, flexibase
1.52,1.5,-22.74,0,4,0, 226.663, 1
3874604
 
#41

Glutathione Transferrase GST-EFI: pantethine
MedChem Express: HY-B1028
MicroSource Pharmakon: 01505920
MicroSource World Drugs: 01505920
Sigma Aldrich (Building Blocks): P3280|SIGMA...38 total

ref: mol2, SDF, SMILES, flexibase
-1.93,-15.57,-38.08,8,12,0, 554.732, 19

Similar to: 38797959, 38797960, 38797961,
1571215
 
#42

Glutathione Transferrase GST-EFI: t-2-nonenal_(t2NE)
TCM Database @ Taiwan: tcm03_006344
Acros Organics: 29831
Alfa-Aesar: A18108
Chembo Pharma: KB-173986...25 total

ref: mol2, SDF, SMILES, flexibase
3.84,6.5,-5.96,0,1,0, 140.226, 6

Similar to: 5157637, 33820560, 38763565, 39297655, 44712396, ... 5 in total.
8585869
 
#43

Glutathione Transferrase GST-EFI: t-butyl_hydroperoxide
Acros Organics: 18034
Alfa-Aesar: A13926
BioSynth: Q-201796
Chembo Pharma: KB-204634...62 total

ref: mol2, SDF, SMILES, flexibase
1.17,-0.1,-3.52,1,2,0, 90.122, 1
1641045
 
#44

Glutathione Transferrase GST-EFI: 4-nitrophenylacetate_(4NPa)
Acros Organics: 12875
Alfa-Aesar: L00314
BioSynth: N-3900
Chembo Pharma: KB-40115...24 total

ref: mol2, SDF, SMILES, flexibase
1.45,6.39,-8.81,0,5,0, 181.147, 3

Similar to: 1727833,
1680675
 
#45

ChemMol: 30103893, 1201360, 44003610
eMolecules: 500118
Glutathione Transferrase GST-EFI: 4-nitropyridine-N-oxide_(4NPNO)
Molport: MolPort-000-884-786
Scientific Exchange: POD_03/0531...84 total

ref: mol2, SDF, SMILES, flexibase
-0.59,3.83,-14.19,0,5,0, 140.098, 1

Similar to: 39121663,
1529664
 
#46

ChemMol: 96700258
eMolecules: 508511
Glutathione Transferrase GST-EFI: 4-nitroquinoline-N-oxide_(4-NQ-NO)
Molport: MolPort-001-763-953
Scientific Exchange (make on demand): F-393802...61 total

ref: mol2, SDF, SMILES, flexibase
0.72,5.83,-14.24,0,5,0, 190.158, 1

Similar to: 3643320, 5782182, 5782726, 5782741, 5844625, ... 16 in total.
1532673
 
#47

ChemMol: 30101096, 44011316, 44032232, 30200499
eMolecules: 496151
Enolase via KEGG (EFI): C00491_1
Glutathione Transferrase GST-EFI: Cystine_(cysteine_disulfide)
Molport: MolPort-001-779-797...343 total

ref: mol2, SDF, SMILES, flexibase
-4.86,2.26,-62.06,6,6,0, 240.306, 7
hi: mol2, SDF, SMILES, flexibase
-4.86,1.97,-65.23,5,6,-1, 239.298, 7
hi: mol2, SDF, SMILES, flexibase
-4.86,1.67,-91.3,4,6,-2, 238.29, 7

Similar to: 1721731, 3651000, 5828993, 5829515, 5830151, ... 9 in total.
1382
 
#48

eMolecules: 538062
Glutathione Transferrase GST-EFI: Ethacrynic_Acid_(EA)
Scientific Exchange (make on demand): F-278670
TCM Database @ Taiwan: 28797
AK Scientific: V0310...104 total

ref: mol2, SDF, SMILES, flexibase
3.44,8.56,-45.9,0,4,-1, 302.133, 6

Similar to: 35905717, 35905718,
1530487
 
#49

Glutathione Transferrase GST-EFI: Paraoxon_(POx)
IBScreen Bioactives: Bio-0720
NCI Plated 2007: 404110
Sigma Aldrich (Building Blocks): N12816|SUPELCO, PS610|SUPELCO, 855790|ALDRICH, D9286|SIGMA
Tetrahedron Building Blocks: TS31007...43 total

ref: mol2, SDF, SMILES, flexibase
1.97,7.8,-11.4,0,7,0, 275.197, 7

Similar to: 5735190, 5735192, 5751474, 5821551, 5821559, ... 15 in total.
1562120
 
#50

Glutathione Transferrase GST-EFI: penicillamine
American Custom Chemicals Corp.: API0008400
Labotest: LT00452661
Sigma Aldrich (Building Blocks): P1101|ALDRICH
Tetrahedron Building Blocks: TS35908...20 total

ref: mol2, SDF, SMILES, flexibase
-3.74,-4.3,-69.48,6,6,0, 296.414, 7

Similar to: 5357469, 32508907, 1562117, 1562118, ... 4 in total.
1530376
 
#51

Glutathione Transferrase GST-EFI: t-o-hydroxybenzylidene_pyruvic_acid_(tHBPA)
Biocyc via PubChem: CPDN-385
ChEBI: CHEBI:59353
ChEMBL12: CHEMBL1236354
ChemDB: 6917754...16 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.14,-51.16,1,4,-1, 191.162, 3
70641009
 
#52

Glutathione Transferrase GST-EFI: maleylacetone_(Mac)
ref: mol2, SDF, SMILES, flexibase
-0.94,5.92,-67.27,0,4,-1, 155.129, 4

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 491 ) limit 0,100

Smiles were